1-[(5-ethylthiophen-2-yl)-(2-methylphenyl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(5-ethylthiophen-2-yl)-(2-methylphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(5-ethyl-2-thienyl)-(o-tolyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(5-ethyl-2-thiophenyl)-(2-methylphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(5-ethylthiophen-2-yl)-(2-methylphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(5-ethyl-2-thienyl)-(o-tolyl)methyl]pipecolinic acid Formula: C20H25NO2S MolecularWeight: 343.483

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C(C2=CC=CC=C2C)N3CCCCC3C(=O)O

Isomeric SMILES

CCC1=CC=C(S1)C(C2=CC=CC=C2C)N3CCCCC3C(=O)O

InChI

InChI=1S/C20H25NO2S/c1-3-15-11-12-18(24-15)19(16-9-5-4-8-14(16)2)21-13-7-6-10-17(21)20(22)23/h4-5,8-9,11-12,17,19H,3,6-7,10,13H2,1-2H3,(H,22,23)